CID 3078313

Leucinamide, n-(2-mercaptoethyl)-, hydrobromide

Structural Information

Molecular Formula
C8H18N2OS
SMILES
CC(C)C[C@@H](C(=O)NCCS)N
InChI
InChI=1S/C8H18N2OS/c1-6(2)5-7(9)8(11)10-3-4-12/h6-7,12H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKey
QCSNUCDGMRLGGP-ZETCQYMHSA-N
Compound name
(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11398 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.121256 145.7
[M+Na]+ 213.103198 149.7
[M-H]- 189.106704 145.0
[M+NH4]+ 208.147803 164.7
[M+K]+ 229.077138 148.5
[M+H-H2O]+ 173.111240 139.5
[M+HCOO]- 235.112181 161.7
[M+CH3COO]- 249.127831 189.0
[M+Na-2H]- 211.088646 144.2
[M]+ 190.11343142 145.7
[M]- 190.11452858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.